ethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate

C23H25FN2O2 — CID 4848495

IUPACethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(C1(c3ccc(F)cc3)CCCC1)n2CC
InChIInChI=1S/C23H25FN2O2/c1-3-26-20-12-7-16(21(27)28-4-2)15-19(20)25-22(26)23(13-5-6-14-23)17-8-10-18(24)11-9-17/h7-12,15H,3-6,13-14H2,1-2H3
InChIKeyWJLBIXDNOGBGKC-UHFFFAOYSA-N
MW380.46 g/mol
LogP5.23
Rot. Bonds5

About ethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate

ethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate (PubChem CID 4848495) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is ethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate
PubChem CID4848495
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Nameethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(C1(c3ccc(F)cc3)CCCC1)n2CC
InChIInChI=1S/C23H25FN2O2/c1-3-26-20-12-7-16(21(27)28-4-2)15-19(20)25-22(26)23(13-5-6-14-23)17-8-10-18(24)11-9-17/h7-12,15H,3-6,13-14H2,1-2H3
InChIKeyWJLBIXDNOGBGKC-UHFFFAOYSA-N
XLogP5.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.46
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-5-fluorobenzimidazol-2-yl)cyclopentan-1-amine
CID 61291958
ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate
CID 7996375
ethyl 2-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-carboxylate
CID 7845773
ethyl 1-ethyl-2-[(2-fluorophenyl)methylsulfanyl]benzimidazole-5-carboxylate
CID 4683127
ethyl 1-ethyl-2-[2-(methylamino)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate
CID 3987529
ethyl 2-[(4-tert-butylphenoxy)methyl]-1-ethylbenzimidazole-5-carboxylate
CID 4291889
ethyl 2-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-carboxylate
CID 11917567
ethyl 2-[(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-carboxylate
CID 11917568
ethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate
CID 143063190
ethyl 2-[2-(cycloheptylamino)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate
CID 7845856
ethyl 3-ethyl-2-methylbenzimidazole-5-carboxylate
CID 5297383
ethyl 1-ethyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylbenzimidazole-5-carboxylate
CID 4813972

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate (CID 4848495) is ethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)nc(C1(c3ccc(F)cc3)CCCC1)n2CC.
What is the InChIKey of ethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate?
The InChIKey is WJLBIXDNOGBGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-3-26-20-12-7-16(21(27)28-4-2)15-19(20)25-22(26)23(13-5-6-14-23)17-8-10-18(24)11-9-17/h7-12,15H,3-6,13-14H2,1-2H3.
What are the key properties of ethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate?
ethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate has a molecular weight of 380.46 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate is sourced from PubChem (CID 4848495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).